4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol

C11H12N2OS — CID 115032136

IUPAC4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol
SMILESNCC(c1ccc(O)cc1)c1nccs1
InChIInChI=1S/C11H12N2OS/c12-7-10(11-13-5-6-15-11)8-1-3-9(14)4-2-8/h1-6,10,14H,7,12H2
InChIKeyASQSGDVTMBYHIR-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.94
Rot. Bonds3

About 4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol

4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol (PubChem CID 115032136) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol
PubChem CID115032136
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol
SMILESNCC(c1ccc(O)cc1)c1nccs1
InChIInChI=1S/C11H12N2OS/c12-7-10(11-13-5-6-15-11)8-1-3-9(14)4-2-8/h1-6,10,14H,7,12H2
InChIKeyASQSGDVTMBYHIR-UHFFFAOYSA-N
XLogP1.94
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol
CID 115040294
(1S)-2-amino-1-(1,3-thiazol-2-yl)ethanol
CID 83004028
3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine
CID 115039140
3-amino-2-(1,3-thiazol-2-yl)propan-1-ol
CID 63216153
4-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)butanoic acid
CID 54127958
3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977590
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 154527868
3-[amino(1,3-thiazol-2-yl)methyl]phenol
CID 115024716
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
3-fluoro-5-[1-(1,3-thiazol-2-yl)propyl]phenol
CID 22406596
2-(1,4-diphenylbutyl)-1,3-thiazole
CID 176916353
4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol
CID 83987249

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol?
The IUPAC name of 4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol (CID 115032136) is 4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol?
The canonical SMILES for 4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol is NCC(c1ccc(O)cc1)c1nccs1.
What is the InChIKey of 4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol?
The InChIKey is ASQSGDVTMBYHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c12-7-10(11-13-5-6-15-11)8-1-3-9(14)4-2-8/h1-6,10,14H,7,12H2.
What are the key properties of 4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol?
4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol has a molecular weight of 220.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol is sourced from PubChem (CID 115032136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).